2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile

C14H17N3 — CID 115129151

IUPAC2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
SMILESCc1[nH]c2ccccc2c1N(C)C(C)(C)C#N
InChIInChI=1S/C14H17N3/c1-10-13(17(4)14(2,3)9-15)11-7-5-6-8-12(11)16-10/h5-8,16H,1-4H3
InChIKeyDPVMPLWINWCUJM-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.21
Rot. Bonds2

About 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile

2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile (PubChem CID 115129151) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
PubChem CID115129151
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
SMILESCc1[nH]c2ccccc2c1N(C)C(C)(C)C#N
InChIInChI=1S/C14H17N3/c1-10-13(17(4)14(2,3)9-15)11-7-5-6-8-12(11)16-10/h5-8,16H,1-4H3
InChIKeyDPVMPLWINWCUJM-UHFFFAOYSA-N
XLogP3.21
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 116840602
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
CID 115136494
2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
CID 115167052
3-N-methyl-3-N-(2-methyl-1H-indol-3-yl)benzene-1,3-diamine
CID 117040909
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butanenitrile
CID 115232046
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115201113
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-1H-indol-3-amine
CID 117041626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile (CID 115129151) is 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile is Cc1[nH]c2ccccc2c1N(C)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile?
The InChIKey is DPVMPLWINWCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-13(17(4)14(2,3)9-15)11-7-5-6-8-12(11)16-10/h5-8,16H,1-4H3.
What are the key properties of 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile?
2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile has a molecular weight of 227.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile is sourced from PubChem (CID 115129151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).